6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid

C14H14N2O4 — CID 53229467

IUPAC6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2ccc(N)nc2C(=O)O)cc1OC
InChIInChI=1S/C14H14N2O4/c1-19-10-5-3-8(7-11(10)20-2)9-4-6-12(15)16-13(9)14(17)18/h3-7H,1-2H3,(H2,15,16)(H,17,18)
InChIKeyFFQZSLUTBFQFAJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.05
Rot. Bonds4

About 6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid

6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 53229467) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
PubChem CID53229467
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2ccc(N)nc2C(=O)O)cc1OC
InChIInChI=1S/C14H14N2O4/c1-19-10-5-3-8(7-11(10)20-2)9-4-6-12(15)16-13(9)14(17)18/h3-7H,1-2H3,(H2,15,16)(H,17,18)
InChIKeyFFQZSLUTBFQFAJ-UHFFFAOYSA-N
XLogP2.05
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 53229205
6-amino-3-phenylpyridine-2-carboxylic acid
CID 46314647
5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid
CID 53229622
6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid
CID 53229349
4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 22905823
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 11370771
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
CID 53229646
1,4,8,11-tetrakis(3,4-dimethoxyphenyl)quinoxalino[2,3-b]phenazine-6,13-dione
CID 170781812
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
3-(3,4-dimethoxyphenyl)quinolin-2-amine
CID 1480774
6-amino-3-(3-chloro-5-fluorophenyl)pyridine-2-carboxylic acid
CID 53229415

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid (CID 53229467) is 6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid is COc1ccc(-c2ccc(N)nc2C(=O)O)cc1OC.
What is the InChIKey of 6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is FFQZSLUTBFQFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-10-5-3-8(7-11(10)20-2)9-4-6-12(15)16-13(9)14(17)18/h3-7H,1-2H3,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid?
6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53229467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).